Geometry & MOs

Info

ID:	354001
PubChem CID:	127285658
Reduced:	O2N7C19H31 (1)
Stoich.:	A2B7C19D31 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	2.6
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-(oxan-4-yl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations